Distributed full-graph training of Graph Neural Networks (GNNs) over large graphs is bandwidth-demanding and time-consuming. Frequent exchanges of node features, embeddings and embedding gradients (all referred to as messages) across devices bring significant communication overhead for nodes with remote neighbors on other devices (marginal nodes) and unnecessary waiting time for nodes without remote neighbors (central nodes) in the training graph. This paper proposes an efficient GNN training system, AdaQP, to expedite distributed full-graph GNN training. We stochastically quantize messages transferred across devices to lower-precision integers for communication traffic reduction and advocate communication-computation parallelization between marginal nodes and central nodes. We provide theoretical analysis to prove fast training convergence (at the rate of O(T^{-1}) with T being the total number of training epochs) and design an adaptive quantization bit-width assignment scheme for each message based on the analysis, targeting a good trade-off between training convergence and efficiency. Extensive experiments on mainstream graph datasets show that AdaQP substantially improves distributed full-graph training's throughput (up to 3.01 X) with negligible accuracy drop (at most 0.30%) or even accuracy improvement (up to 0.19%) in most cases, showing significant advantages over the state-of-the-art works.
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In this study, we investigate whether the representations learned by neural networks possess a privileged and convergent basis. Specifically, we examine the significance of feature directions represented by individual neurons. First, we establish that arbitrary rotations of neural representations cannot be inverted (unlike linear networks), indicating that they do not exhibit complete rotational invariance. Subsequently, we explore the possibility of multiple bases achieving identical performance. To do this, we compare the bases of networks trained with the same parameters but with varying random initializations. Our study reveals two findings: (1) Even in wide networks such as WideResNets, neural networks do not converge to a unique basis; (2) Basis correlation increases significantly when a few early layers of the network are frozen identically. Furthermore, we analyze Linear Mode Connectivity, which has been studied as a measure of basis correlation. Our findings give evidence that while Linear Mode Connectivity improves with increased network width, this improvement is not due to an increase in basis correlation.
Perfect synchronization in distributed machine learning problems is inefficient and even impossible due to the existence of latency, package losses and stragglers. We propose a Robust Fully-Asynchronous Stochastic Gradient Tracking method (R-FAST), where each device performs local computation and communication at its own pace without any form of synchronization. Different from existing asynchronous distributed algorithms, R-FAST can eliminate the impact of data heterogeneity across devices and allow for packet losses by employing a robust gradient tracking strategy that relies on properly designed auxiliary variables for tracking and buffering the overall gradient vector. More importantly, the proposed method utilizes two spanning-tree graphs for communication so long as both share at least one common root, enabling flexible designs in communication architectures. We show that R-FAST converges in expectation to a neighborhood of the optimum with a geometric rate for smooth and strongly convex objectives; and to a stationary point with a sublinear rate for general non-convex settings. Extensive experiments demonstrate that R-FAST runs 1.5-2 times faster than synchronous benchmark algorithms, such as Ring-AllReduce and D-PSGD, while still achieving comparable accuracy, and outperforms existing asynchronous SOTA algorithms, such as AD-PSGD and OSGP, especially in the presence of stragglers.
Graph neural networks (GNNs) are among the most powerful tools in deep learning. They routinely solve complex problems on unstructured networks, such as node classification, graph classification, or link prediction, with high accuracy. However, both inference and training of GNNs are complex, and they uniquely combine the features of irregular graph processing with dense and regular computations. This complexity makes it very challenging to execute GNNs efficiently on modern massively parallel architectures. To alleviate this, we first design a taxonomy of parallelism in GNNs, considering data and model parallelism, and different forms of pipelining. Then, we use this taxonomy to investigate the amount of parallelism in numerous GNN models, GNN-driven machine learning tasks, software frameworks, or hardware accelerators. We use the work-depth model, and we also assess communication volume and synchronization. We specifically focus on the sparsity/density of the associated tensors, in order to understand how to effectively apply techniques such as vectorization. We also formally analyze GNN pipelining, and we generalize the established Message-Passing class of GNN models to cover arbitrary pipeline depths, facilitating future optimizations. Finally, we investigate different forms of asynchronicity, navigating the path for future asynchronous parallel GNN pipelines. The outcomes of our analysis are synthesized in a set of insights that help to maximize GNN performance, and a comprehensive list of challenges and opportunities for further research into efficient GNN computations. Our work will help to advance the design of future GNNs.
Graph neural networks (GNNs) are a type of deep learning models that learning over graphs, and have been successfully applied in many domains. Despite the effectiveness of GNNs, it is still challenging for GNNs to efficiently scale to large graphs. As a remedy, distributed computing becomes a promising solution of training large-scale GNNs, since it is able to provide abundant computing resources. However, the dependency of graph structure increases the difficulty of achieving high-efficiency distributed GNN training, which suffers from the massive communication and workload imbalance. In recent years, many efforts have been made on distributed GNN training, and an array of training algorithms and systems have been proposed. Yet, there is a lack of systematic review on the optimization techniques from graph processing to distributed execution. In this survey, we analyze three major challenges in distributed GNN training that are massive feature communication, the loss of model accuracy and workload imbalance. Then we introduce a new taxonomy for the optimization techniques in distributed GNN training that address the above challenges. The new taxonomy classifies existing techniques into four categories that are GNN data partition, GNN batch generation, GNN execution model, and GNN communication protocol.We carefully discuss the techniques in each category. In the end, we summarize existing distributed GNN systems for multi-GPUs, GPU-clusters and CPU-clusters, respectively, and give a discussion about the future direction on scalable GNNs.
The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.
Vast amount of data generated from networks of sensors, wearables, and the Internet of Things (IoT) devices underscores the need for advanced modeling techniques that leverage the spatio-temporal structure of decentralized data due to the need for edge computation and licensing (data access) issues. While federated learning (FL) has emerged as a framework for model training without requiring direct data sharing and exchange, effectively modeling the complex spatio-temporal dependencies to improve forecasting capabilities still remains an open problem. On the other hand, state-of-the-art spatio-temporal forecasting models assume unfettered access to the data, neglecting constraints on data sharing. To bridge this gap, we propose a federated spatio-temporal model -- Cross-Node Federated Graph Neural Network (CNFGNN) -- which explicitly encodes the underlying graph structure using graph neural network (GNN)-based architecture under the constraint of cross-node federated learning, which requires that data in a network of nodes is generated locally on each node and remains decentralized. CNFGNN operates by disentangling the temporal dynamics modeling on devices and spatial dynamics on the server, utilizing alternating optimization to reduce the communication cost, facilitating computations on the edge devices. Experiments on the traffic flow forecasting task show that CNFGNN achieves the best forecasting performance in both transductive and inductive learning settings with no extra computation cost on edge devices, while incurring modest communication cost.
Unsupervised domain adaptation (UDA) methods for person re-identification (re-ID) aim at transferring re-ID knowledge from labeled source data to unlabeled target data. Although achieving great success, most of them only use limited data from a single-source domain for model pre-training, making the rich labeled data insufficiently exploited. To make full use of the valuable labeled data, we introduce the multi-source concept into UDA person re-ID field, where multiple source datasets are used during training. However, because of domain gaps, simply combining different datasets only brings limited improvement. In this paper, we try to address this problem from two perspectives, \ie{} domain-specific view and domain-fusion view. Two constructive modules are proposed, and they are compatible with each other. First, a rectification domain-specific batch normalization (RDSBN) module is explored to simultaneously reduce domain-specific characteristics and increase the distinctiveness of person features. Second, a graph convolutional network (GCN) based multi-domain information fusion (MDIF) module is developed, which minimizes domain distances by fusing features of different domains. The proposed method outperforms state-of-the-art UDA person re-ID methods by a large margin, and even achieves comparable performance to the supervised approaches without any post-processing techniques.
Graph Neural Networks (GNNs) have proven to be useful for many different practical applications. However, many existing GNN models have implicitly assumed homophily among the nodes connected in the graph, and therefore have largely overlooked the important setting of heterophily, where most connected nodes are from different classes. In this work, we propose a novel framework called CPGNN that generalizes GNNs for graphs with either homophily or heterophily. The proposed framework incorporates an interpretable compatibility matrix for modeling the heterophily or homophily level in the graph, which can be learned in an end-to-end fashion, enabling it to go beyond the assumption of strong homophily. Theoretically, we show that replacing the compatibility matrix in our framework with the identity (which represents pure homophily) reduces to GCN. Our extensive experiments demonstrate the effectiveness of our approach in more realistic and challenging experimental settings with significantly less training data compared to previous works: CPGNN variants achieve state-of-the-art results in heterophily settings with or without contextual node features, while maintaining comparable performance in homophily settings.
The aim of this work is to develop a fully-distributed algorithmic framework for training graph convolutional networks (GCNs). The proposed method is able to exploit the meaningful relational structure of the input data, which are collected by a set of agents that communicate over a sparse network topology. After formulating the centralized GCN training problem, we first show how to make inference in a distributed scenario where the underlying data graph is split among different agents. Then, we propose a distributed gradient descent procedure to solve the GCN training problem. The resulting model distributes computation along three lines: during inference, during back-propagation, and during optimization. Convergence to stationary solutions of the GCN training problem is also established under mild conditions. Finally, we propose an optimization criterion to design the communication topology between agents in order to match with the graph describing data relationships. A wide set of numerical results validate our proposal. To the best of our knowledge, this is the first work combining graph convolutional neural networks with distributed optimization.
Graph convolutional network (GCN) has been successfully applied to many graph-based applications; however, training a large-scale GCN remains challenging. Current SGD-based algorithms suffer from either a high computational cost that exponentially grows with number of GCN layers, or a large space requirement for keeping the entire graph and the embedding of each node in memory. In this paper, we propose Cluster-GCN, a novel GCN algorithm that is suitable for SGD-based training by exploiting the graph clustering structure. Cluster-GCN works as the following: at each step, it samples a block of nodes that associate with a dense subgraph identified by a graph clustering algorithm, and restricts the neighborhood search within this subgraph. This simple but effective strategy leads to significantly improved memory and computational efficiency while being able to achieve comparable test accuracy with previous algorithms. To test the scalability of our algorithm, we create a new Amazon2M data with 2 million nodes and 61 million edges which is more than 5 times larger than the previous largest publicly available dataset (Reddit). For training a 3-layer GCN on this data, Cluster-GCN is faster than the previous state-of-the-art VR-GCN (1523 seconds vs 1961 seconds) and using much less memory (2.2GB vs 11.2GB). Furthermore, for training 4 layer GCN on this data, our algorithm can finish in around 36 minutes while all the existing GCN training algorithms fail to train due to the out-of-memory issue. Furthermore, Cluster-GCN allows us to train much deeper GCN without much time and memory overhead, which leads to improved prediction accuracy---using a 5-layer Cluster-GCN, we achieve state-of-the-art test F1 score 99.36 on the PPI dataset, while the previous best result was 98.71 by [16]. Our codes are publicly available at //github.com/google-research/google-research/tree/master/cluster_gcn.
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